chempirical

Nitidine, chloride

C21H18ClNO4CAS 13063-04-2383.83 g/mol

Open in Covalent MOL file
ON+OOOCl−
AcetalEther

Properties

Molecular formula
C21H18ClNO4
Molar mass
383.83 g/mol
Exact mass
383.0924 Da
Melting point
283–286 °C
logP
0.72Crippen estimate
Polar surface area
40.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
13063-04-2
SMILES
COc1cc2c[n+](C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5.[Cl-]
InChIKey
QLDAACVSUMUMOR-UHFFFAOYSA-M
InChI
InChI=1S/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • [1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, chloride (1:1)
  • [1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, chloride
  • NSC 146397
  • SML 0610

Work with Nitidine, chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chelerythrine chloride-sanguinarine chloride mixt.112025-60-271 % similar Chelerythrine34316-15-969 % similar Sanguinarine hydrochloride5578-73-467 % similar Sanguinarine2447-54-361 % similar Berberine hydrochloride633-65-841 % similar Berberine2086-83-137 % similar Epiberberine6873-09-237 % similar Ungeremine72510-04-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Chelerythrine chloride3895-92-9

Elsewhere

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